5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione

C14H11F3N6O3 — CID 170606655

IUPAC5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-n2cc3c(N4CC(O)C(F)(F)C4)ncc(F)c3n2)c(=O)[nH]1
InChIInChI=1S/C14H11F3N6O3/c15-7-1-18-11(22-4-9(24)14(16,17)5-22)6-3-23(21-10(6)7)8-2-19-13(26)20-12(8)25/h1-3,9,24H,4-5H2,(H2,19,20,25,26)
InChIKeyYONWSZMCZKPUMF-UHFFFAOYSA-N
MW368.28 g/mol
LogP-0.25
Rot. Bonds2

About 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione

5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170606655) has the molecular formula C14H11F3N6O3 and a molecular weight of 368.28 g/mol. Its IUPAC name is 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170606655
Molecular FormulaC14H11F3N6O3
Molecular Weight368.28 g/mol
Exact Mass368.08
IUPAC Name5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-n2cc3c(N4CC(O)C(F)(F)C4)ncc(F)c3n2)c(=O)[nH]1
InChIInChI=1S/C14H11F3N6O3/c15-7-1-18-11(22-4-9(24)14(16,17)5-22)6-3-23(21-10(6)7)8-2-19-13(26)20-12(8)25/h1-3,9,24H,4-5H2,(H2,19,20,25,26)
InChIKeyYONWSZMCZKPUMF-UHFFFAOYSA-N
XLogP-0.25
TPSA119.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione (CID 170606655) is 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-n2cc3c(N4CC(O)C(F)(F)C4)ncc(F)c3n2)c(=O)[nH]1.
What is the InChIKey of 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is YONWSZMCZKPUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O3/c15-7-1-18-11(22-4-9(24)14(16,17)5-22)6-3-23(21-10(6)7)8-2-19-13(26)20-12(8)25/h1-3,9,24H,4-5H2,(H2,19,20,25,26).
What are the key properties of 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 368.28 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170606655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).